Geometry & MOs

Info

ID:

326557

PubChem CID:

126687774

Reduced:

N9O12C49H75 (1)

Stoich.:

A9B12C49D75 (1)

Weight, g/mol:

461.217778

ΔHf, kcal/mol:

-544.05

Dipole, Da:

8.75

IP(EA), eV:

 -9.13(-0.56)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2,2-dimethyl-4-[[(1R)-1-[(3-methyl-2,3-dihydro-1-benzofuran-6-yl)oxy]-5-(trifluoromethyl)-2,3-dihydro-1H-inden-4-yl]methyl]morpholine

Drug info:

PubChemData

Smile

CCCCCCCCCCCCCCCC(=O)N(C)[C@H](CO)C(=O)N[C@@H](C(=O)NCC(=O)N(C)[C@H]1C2=CC(=C(C=C2)O)C3=C(C=CC(=C3)C[C@H](NC(=O)[C@@H](NC1=O)C)C(=O)NCC(C(=O)NC)O)O)N

DOS

IR

Vibrations